1.0 2020-03-25 17:10:20 UTC 2020-04-22 19:04:40 UTC BMDB0097472 TG(14:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Myristoyl-2-eicosadienoyl-3-docosahexaenoyl-glycerol 1-Tetradecanoyl-2-(11Z,14Z-eicosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol TAG(14:0/20:2/22:6) TAG(14:0/20:2n6/22:6) TAG(14:0/20:2W6/22:6) TAG(56:8) TG(14:0/20:2/22:6) TG(14:0/20:2n6/22:6) TG(14:0/20:2W6/22:6) TG(56:8) Tracylglycerol(14:0/20:2/22:6) Tracylglycerol(14:0/20:2n6/22:6) Tracylglycerol(14:0/20:2W6/22:6) Tracylglycerol(56:8) Triacylglycerol Triglyceride TG(14:0/20:2n6/22:6n3) TG(14:0/20:2W6/22:6W3) Tag(14:0/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Tag(14:0/20:2n6/22:6n3) Tag(14:0/20:2W6/22:6W3) Triacylglycerol(14:0/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Triacylglycerol(14:0/20:2/22:6) Triacylglycerol(14:0/20:2n6/22:6n3) Triacylglycerol(14:0/20:2W6/22:6W3) Triacylglycerol(56:8) TG(14:0/20:2(11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) TG(14:0/20:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C59H98O6 903.427 902.736340876 (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,34,37,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,37-34-,46-43-/t56-/m0/s1 PAEWMHZZGVTXGC-HZPOKMMESA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.56 ALOGPS logs -8.25 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z,14Z)-icosa-11,14-dienoyloxy]-3-(tetradecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 903.427 ChemAxon mono_mass 902.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-33-30-27-25-23-20-17-14-11-8-5-2/h7,10,16-17,19-20,24-27,29,31,34,37,43,46,56H,4-6,8-9,11-15,18,21-23,28,30,32-33,35-36,38-42,44-45,47-55H2,1-3H3/b10-7-,19-16-,20-17-,26-24-,27-25-,31-29-,37-34-,46-43-/t56-/m0/s1 ChemAxon inchikey PAEWMHZZGVTXGC-HZPOKMMESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 115.04 ChemAxon rotatable_bond_count 50 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 216130 Specdb::MsMs 578713 Specdb::MsMs 578714 Specdb::MsMs 578715 Specdb::MsMs 927982 Specdb::MsMs 927983 Specdb::MsMs 927984 Specdb::MsMs 2316863 Specdb::MsMs 2316864 Specdb::MsMs 2316865 Specdb::MsMs 2440813 Specdb::MsMs 2440814 Specdb::MsMs 2440815 Specdb::MsMs 2525733 Specdb::MsMs 2525734 Specdb::MsMs 2525735 Specdb::MsMs 2955762 Specdb::MsMs 2955763 Specdb::MsMs 2955764 Specdb::MsMs 2960070 Specdb::MsMs 2960071 Specdb::MsMs 2960072 131753736